SCHEMBL6486794

SCHEMBL6486794

CCOC(=O)c1cccnc1Oc1ccc(C[C@@H](CO)NC[C@H](O)COc2cccc(Cl)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 9/20 0.46
ADRB3 P13945 9/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CASR P41180 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6490352 0.90 ADRB1 (0.56) ADRB1ADRB3
SCHEMBL6490353 0.90 ADRB1 (0.56) ADRB1ADRB3
SCHEMBL6479638 0.89 ADRB3 (0.49) ADRB1ADRB3CASRALDH1A1POLB
SCHEMBL6489743 0.88 ADRB3 (0.46) ADRB1ADRB3CASRALDH1A1POLB
Hydrochloric Acid SCHEMBL6479235 0.88 ADRB1 (0.46) ADRB1ADRB3CASRALDH1A1POLB
SCHEMBL7689127 0.88 ADRB3 (0.47) ADRB1ADRB3CASRALDH1A1POLB
SCHEMBL6486808 0.84 CYP1A2 (0.42) ADRB1ADRB3CYP1A2CYP2C9CYP2C19
SCHEMBL6489074 0.79 ADRB1 (0.60) ADRB1ADRB3ALDH1A1
Oxalic Acid SCHEMBL6479254 0.79 ADRB3 (0.54) ADRB1ADRB3CYP1A2CYP2C9CYP2C19
SCHEMBL6489063 0.78 ADRB1 (0.58) ADRB1ADRB3ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-10-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020143034-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB2, ADRB3 ADRB1 1/4885ADRB3 3/4885CYP1A2 167/4885
US-20050043358-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB2, ADRB1, ADRB3 ADRB1 2/4885ADRB3 3/4885CYP1A2 163/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.